1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine

C19H25N3 — CID 43823529

IUPAC1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(C)CC2c2ccccc2)cc1
InChIInChI=1S/C19H25N3/c1-15(20)16-8-10-18(11-9-16)22-13-12-21(2)14-19(22)17-6-4-3-5-7-17/h3-11,15,19H,12-14,20H2,1-2H3
InChIKeyWSUYLZRUMJLFFG-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.20
Rot. Bonds3

About 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine

1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 43823529) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine
PubChem CID43823529
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(C)CC2c2ccccc2)cc1
InChIInChI=1S/C19H25N3/c1-15(20)16-8-10-18(11-9-16)22-13-12-21(2)14-19(22)17-6-4-3-5-7-17/h3-11,15,19H,12-14,20H2,1-2H3
InChIKeyWSUYLZRUMJLFFG-UHFFFAOYSA-N
XLogP3.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 78935368
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline
CID 60783031
N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
CID 104531998
1-[2-(chloromethyl)-4-pyridinyl]-4-methyl-2-phenylpiperazine
CID 61257188
1-methyl-3-(4-methyl-2-phenylpiperazin-1-yl)pyrazol-4-amine
CID 103077821
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
CID 81134069
(2R)-4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]piperazine-1-carbothioamide
CID 98786040
4-bromo-2-(4-methyl-2-phenylpiperazin-1-yl)aniline
CID 65341789

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine (CID 43823529) is 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine is CC(N)c1ccc(N2CCN(C)CC2c2ccccc2)cc1.
What is the InChIKey of 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is WSUYLZRUMJLFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15(20)16-8-10-18(11-9-16)22-13-12-21(2)14-19(22)17-6-4-3-5-7-17/h3-11,15,19H,12-14,20H2,1-2H3.
What are the key properties of 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine?
1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43823529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).